2-[4-(4-chlorophenyl)-2-methyl-3-(1,3-thiazol-5-ylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid

Systemtic Name: 2-[4-(4-chlorophenyl)-2-methyl-3-(1,3-thiazol-5-ylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Openeye Name: 2-[4-(4-chlorophenyl)-2-methyl-3-(thiazol-5-ylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid CAS Name: 2-[4-(4-chlorophenyl)-2-methyl-3-(5-thiazolylmethoxy)phenyl]-1-cyclohexyl-5-benzimidazolecarboxylic acid IUPAC Name: 2-[4-(4-chlorophenyl)-2-methyl-3-(1,3-thiazol-5-ylmethoxy)phenyl]-1-cyclohexylbenzimidazole-5-carboxylic acid Traditional Name: 2-[4-(4-chlorophenyl)-2-methyl-3-(thiazol-5-ylmethoxy)phenyl]-1-cyclohexyl-benzimidazole-5-carboxylic acid Formula: C31H28ClN3O3S MolecularWeight: 558.09032

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C=CC(=C1OCC2=CN=CS2)C3=CC=C(C=C3)Cl)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

Isomeric SMILES

CC1=C(C=CC(=C1OCC2=CN=CS2)C3=CC=C(C=C3)Cl)C4=NC5=C(N4C6CCCCC6)C=CC(=C5)C(=O)O

InChI

InChI=1S/C31H28ClN3O3S/c1-19-25(12-13-26(20-7-10-22(32)11-8-20)29(19)38-17-24-16-33-18-39-24)30-34-27-15-21(31(36)37)9-14-28(27)35(30)23-5-3-2-4-6-23/h7-16,18,23H,2-6,17H2,1H3,(H,36,37)